3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine

C14H22N2 — CID 43613770

IUPAC3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine
SMILESCN(c1cccc(N)c1)C1CCCCCC1
InChIInChI=1S/C14H22N2/c1-16(13-8-4-2-3-5-9-13)14-10-6-7-12(15)11-14/h6-7,10-11,13H,2-5,8-9,15H2,1H3
InChIKeyDLJXGAJYFMNLQQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.43
Rot. Bonds2

About 3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine

3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine (PubChem CID 43613770) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine
PubChem CID43613770
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine
SMILESCN(c1cccc(N)c1)C1CCCCCC1
InChIInChI=1S/C14H22N2/c1-16(13-8-4-2-3-5-9-13)14-10-6-7-12(15)11-14/h6-7,10-11,13H,2-5,8-9,15H2,1H3
InChIKeyDLJXGAJYFMNLQQ-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-N-methyl-3-N-(oxan-3-yl)benzene-1,3-diamine
CID 107135022
3-N-(1-ethylpiperidin-4-yl)-3-N-methylbenzene-1,3-diamine
CID 55004205
3-N-(2-ethylcyclohexyl)-3-N-methylbenzene-1,3-diamine
CID 55251570
3-[cycloheptyl(methyl)amino]benzoic acid
CID 102822720
3-[cyclopentyl(methyl)amino]benzamide
CID 66960912
3-N-cyclobutyl-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117041101
4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
CID 43436341
3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine
CID 104833893
1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
3-N-butan-2-yl-3-N-methylbenzene-1,3-diamine
CID 43272599
3-N-methyl-3-N-(2-methyloxolan-3-yl)benzene-1,3-diamine
CID 82741229

Frequently Asked Questions

What is the IUPAC name of 3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine (CID 43613770) is 3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine is CN(c1cccc(N)c1)C1CCCCCC1.
What is the InChIKey of 3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine?
The InChIKey is DLJXGAJYFMNLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-16(13-8-4-2-3-5-9-13)14-10-6-7-12(15)11-14/h6-7,10-11,13H,2-5,8-9,15H2,1H3.
What are the key properties of 3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine?
3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cycloheptyl-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 43613770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).